SCHEMBL17941

SCHEMBL17941

CCOc1ccc(C(=O)c2cc(Br)ccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
ALOX15 P16050 2/20 0.52
RECQL P46063 2/20 0.52
HSD17B10 Q99714 1/20 0.52
PTGES O14684 1/20 0.51
KMT2A Q03164 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAOB P27338 1/20 0.49
PLK1 P53350 1/20 0.49
PARP10 Q53GL7 1/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
ADAM17 P78536 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17073831 0.87 MAPT (0.54) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL29022659 0.86 PTGES (0.68) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL30504802 0.86 PTGES (0.68) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL29809563 0.84 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL17019 0.84 KDM4E (0.65) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL1457131 0.84 MAPT (0.51) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL28471046 0.84 MAPT (0.65) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL2870865 0.84 MAPT (0.65) MAPTALDH1A1HPGDKMT2ANPSR1
Methyl Alcohol SCHEMBL28904252 0.83 KDM4E (0.64) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL21218517 0.83 PTGES (0.76) MAPTALDH1A1PTGESMAOBPARP10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed